HRID1801662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID521998

4-Methylbenzenesulfonic acid hydrate

C7H10O4S

结构：O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1

HCID11978813

Brexpiprazole

C25H27N3O2S

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)O)cc1.O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1

HCID86654692

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

p-Toluenesulfonic acid monohydrate was added to a solution of 7-[4-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)butoxy]-1H-quinolin-2-one in methanol and dichloromethane and the solvent was evaporated under reduced pressure. The residue was recrystallized from methanol and thereby 7-[4-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)butoxy]-1H-quinolin-2-one p-toluenesulfonate was obtained in the form of a white powder.

WORKUP

后处理

customthe solvent was evaporated under reduced pressure
customThe residue was recrystallized from methanol

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50f1c9f2430d4b21b31a05c8981fa3c5
来源数据集: uspto-grants-2013_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08349840B2
来源说明: uspto-grants-2013_01

反应 SMILES

O.[C:2]1([CH3:12])[CH:7]=[CH:6][C:5]([S:8]([OH:11])(=[O:10])=[O:9])=[CH:4][CH:3]=1.[S:13]1[CH:17]=[CH:16][C:15]2[C:18]([N:22]3[CH2:27][CH2:26][N:25]([CH2:28][CH2:29][CH2:30][CH2:31][O:32][C:33]4[CH:42]=[C:41]5[C:36]([CH:37]=[CH:38][C:39](=[O:43])[NH:40]5)=[CH:35][CH:34]=4)[CH2:24][CH2:23]3)=[CH:19][CH:20]=[CH:21][C:14]1=2>CO.ClCCl>[C:2]1([CH3:12])[CH:3]=[CH:4][C:5]([S:8]([OH:11])(=[O:9])=[O:10])=[CH:6][CH:7]=1.[S:13]1[CH:17]=[CH:16][C:15]2[C:18]([N:22]3[CH2:23][CH2:24][N:25]([CH2:28][CH2:29][CH2:30][CH2:31][O:32][C:33]4[CH:42]=[C:41]5[C:36]([CH:37]=[CH:38][C:39](=[O:43])[NH:40]5)=[CH:35][CH:34]=4)[CH2:26][CH2:27]3)=[CH:19][CH:20]=[CH:21][C:14]1=2